| SpectraBase Compound ID | GvAfMmGBrmY |
|---|---|
| InChI | InChI=1S/C11H15N5O6/c12-8(2-1-5-17)11(18)14-13-9-4-3-7(15(19)20)6-10(9)16(21)22/h3-4,6,8,13,17H,1-2,5,12H2,(H,14,18) |
| InChIKey | TYDDQIRKSJWHCX-UHFFFAOYSA-N |
| Mol Weight | 313.27 g/mol |
| Molecular Formula | C11H15N5O6 |
| Exact Mass | 313.102233 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5JaaiDDq21S |
|---|---|
| Name | dnp 4-Hydroxynorvaline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.102233217 u |
| Formula | C11H15N5O6 |
| InChI | InChI=1S/C11H15N5O6/c12-8(2-1-5-17)11(18)14-13-9-4-3-7(15(19)20)6-10(9)16(21)22/h3-4,6,8,13,17H,1-2,5,12H2,(H,14,18) |
| InChIKey | TYDDQIRKSJWHCX-UHFFFAOYSA-N |
| Molecular Weight | 313.270 g/mol |
| SMILES | C1=C(C=C(C(=C1)NNC(=O)C(CCCO)N)N(=O)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.814551 |